2-carboxy-3-hydroxyphenolate

C7H5O4- — CID 54676638

IUPAC2-carboxy-3-hydroxyphenolate
SMILESO=C(O)c1c([O-])cccc1O
InChIInChI=1S/C7H6O4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H,(H,10,11)/p-1
InChIKeyAKEUNCKRJATALU-UHFFFAOYSA-M
MW153.11 g/mol
LogP0.16
Rot. Bonds1

About 2-carboxy-3-hydroxyphenolate

2-carboxy-3-hydroxyphenolate (PubChem CID 54676638) has the molecular formula C7H5O4- and a molecular weight of 153.11 g/mol. Its IUPAC name is 2-carboxy-3-hydroxyphenolate.

Molecular Properties

Compound Name2-carboxy-3-hydroxyphenolate
PubChem CID54676638
Molecular FormulaC7H5O4-
Molecular Weight153.11 g/mol
Exact Mass153.02
IUPAC Name2-carboxy-3-hydroxyphenolate
SMILESO=C(O)c1c([O-])cccc1O
InChIInChI=1S/C7H6O4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H,(H,10,11)/p-1
InChIKeyAKEUNCKRJATALU-UHFFFAOYSA-M
XLogP0.16
TPSA80.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.11
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

bis(2-carboxy-3-hydroxyphenolate);iron(2+)
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2-hydroxy-6-(triazol-2-yl)benzoic acid
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2-(2-carboxy-3-hydroxyphenoxy)-6-hydroxybenzoic acid
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2-carboxyoxy-6-hydroxybenzoic acid
CID 18430416
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CID 102209801
zinc;2-hydroxy-6-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]benzoic acid;2-oxido-6-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]benzoate
CID 101328678
6-carboxy-7-hydroxynaphthalen-1-olate
CID 54694260
sodium 2-carboxy-3-tetradecylphenolate
CID 101311322
2-anilino-6-hydroxybenzoic acid
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2-hydroxy-6-(2-methylpentan-2-yl)benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-carboxy-3-hydroxyphenolate?
The IUPAC name of 2-carboxy-3-hydroxyphenolate (CID 54676638) is 2-carboxy-3-hydroxyphenolate.
What is the SMILES notation for 2-carboxy-3-hydroxyphenolate?
The canonical SMILES for 2-carboxy-3-hydroxyphenolate is O=C(O)c1c([O-])cccc1O.
What is the InChIKey of 2-carboxy-3-hydroxyphenolate?
The InChIKey is AKEUNCKRJATALU-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6O4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H,(H,10,11)/p-1.
What are the key properties of 2-carboxy-3-hydroxyphenolate?
2-carboxy-3-hydroxyphenolate has a molecular weight of 153.11 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxy-3-hydroxyphenolate is sourced from PubChem (CID 54676638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).